#------------------------------------------------------------------------------
#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/34/9013410.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9013410
loop_
_publ_author_name
'Frondel, C.'
'Palache, C.'
_publ_section_title
;
 Three new polymorphs of zinc sulfide
;
_journal_name_full               Science
_journal_page_first              602
_journal_page_last               602
_journal_paper_doi               10.1126/science.107.2788.602
_journal_volume                  107
_journal_year                    1948
_chemical_formula_sum            'S5 Zn5'
_chemical_name_mineral           Wurtzite-15R
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.83
_cell_length_b                   3.83
_cell_length_c                   46.87999
_cell_volume                     595.547
_database_code_amcsd             0015414
_exptl_crystal_density_diffrn    4.076
_cod_original_cell_volume        595.546
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Zn5 S5'
_cod_database_code               9013410
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
x,x-y,z
2/3+x,1/3+x-y,1/3+z
1/3+x,2/3+x-y,2/3+z
-y,-x,z
2/3-y,1/3-x,1/3+z
1/3-y,2/3-x,2/3+z
-x+y,y,z
2/3-x+y,1/3+y,1/3+z
1/3-x+y,2/3+y,2/3+z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Zn1 0.00000 0.00000 0.00000
Zn2 0.66667 0.33333 0.06667
Zn3 0.33333 0.66667 0.13333
Zn4 0.66667 0.33333 0.20000
Zn5 0.33333 0.66667 0.26667
S1 0.00000 0.00000 0.05000
S2 0.66667 0.33333 0.11667
S3 0.33333 0.66667 0.18333
S4 0.66667 0.33333 0.25000
S5 0.33333 0.66667 0.31667
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015414